3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-N-propargyl-benzenesulfonamide Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-2-11-22-28(26,27)20-10-6-9-19(16-20)21(25)24-14-12-23(13-15-24)17-18-7-4-3-5-8-18/h1,3-10,16,22H,11-15,17H2